100747 <common-name>3-[(2-Ethylhexyl)thio]-2-methylpropiononitrile</common-name> <description>3-[(2-Ethylhexyl)thio]-2-methylpropiononitrile is a chemical compound with the formula C12H23NS. It has an average molecular weight of 213.38 g/mol.</description> <cas>93918-83-3</cas> <pubchem-id>3022900</pubchem-id> <chemical-formula>C12H23NS</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T08:02:32Z</created-at> <updated-at type="dateTime">2026-04-05T08:02:32Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCC(CC)CSCC(C)C#N</moldb-smiles> <moldb-formula>C12H23NS</moldb-formula> <moldb-inchi>InChI=1/C12H23NS/c1-4-6-7-12(5-2)10-14-9-11(3)8-13/h11-12H,4-7,9-10H2,1-3H3</moldb-inchi> <moldb-inchikey>NERWRCYSTSIMEW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">213.38</moldb-average-mass> <moldb-mono-mass type="decimal">213.1551207</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM096640</chemdb-id> <dsstox-id>DTXSID60917145</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063858</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0137234</sync-id> <structure-inchikey>NERWRCYSTSIMEW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000800000000000000000000040000000000000000001002000040000000000000000000000000000000000000000000000000000000000000000000010000000000000000000020000000000000001800000000000220000000000000000000000000000000000000004000000000000000000000000040000000040000000000000000000000000000102000000000000000000002000000800000000040008000000008000000000000000000000000000000800000000000000000000000200000000000000000000000000000000000000000000000000000000400000000010100000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>800200000000000001002000000000000105000000200040020000044000000100800000000001000080000004200004000c10010000443000a0000084110000000000000080100000620000000000004000001200000420000000000c2000000000020000000000400000002000801004008004110c00000010000200400000044000080c00000008080008100400024400000000000800000040004003000000004000000008000024201002c00000000108000000000000000200000000042c0000000080000000000200000000000000400000000000080000000000080000000000000000000000200800000010004000000000000050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�������(�������(������������������������������� � � �� ��� ��B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:27Z</structure-indexed-at> </compound>